Basic information
- CAS
87128-49-2- Standard SMILES
CC(C)OC(=O)C[C@@H](C)O- InChIKey
OHQCTLBHQBPXLU-ZCFIWIBFSA-N- Molecular formula
- C7H14O3
- Average molar mass
- 146.18 g/mol
- Monoisotopic mass
- 146.0942943
Names & identifiers
- Preferred name
- Butanoic acid, 3-hydroxy-, 1-methylethyl ester, (R)-
- IUPAC
- propan-2-yl (3R)-3-hydroxybutanoate
Names & synonyms
Butanoic acid, 3-hydroxy-, 1-methylethyl ester, (R)-87128-49-2DTXSID80454542RefChem:330761DTXCID70405361Propan-2-yl (3R)-3-hydroxybutanoateSCHEMBL18087548Isopropyl (R)-3-HydroxybutanoateSY528888
Database identifiers
- CAS
87128-49-2- PubChem CID
- 11084019
- DTXSID
DTXSID80454542- Nikkaji
- J765.601G
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 109
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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